Ce2ZnPd
Alexandria ALEXAlex-ID: agm003636474 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_8347_spg69
CeZn CePd
2022-04-15 08:41:56.402247
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003636474).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm003636474
data_agm003636474
_cell_length_a 6.58763
_cell_length_b 6.11763
_cell_length_c 6.11763
_cell_angle_alpha 75.30544
_cell_angle_beta 57.42433
_cell_angle_gamma 57.42433
_cell_volume 174.84651
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ce1 Ce 0.19916 0.30084 0.80084 1.00000
Ce2 Ce 0.30084 0.69916 0.19916 1.00000
Ce3 Ce 0.80084 0.69916 0.19916 1.00000
Ce4 Ce 0.69916 0.30084 0.80084 1.00000
Zn1 Zn 0.25000 0.19822 0.30178 1.00000
Zn2 Zn 0.75000 0.80178 0.69822 1.00000
Pd1 Pd 0.75000 0.17789 0.32211 1.00000
Pd2 Pd 0.25000 0.82211 0.67789 1.00000
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